4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine

C15H17ClFN3O — CID 63350482

IUPAC4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nc(-c3ccc(F)cc3Cl)no2)CC1
InChIInChI=1S/C15H17ClFN3O/c1-18-11-5-2-9(3-6-11)15-19-14(20-21-15)12-7-4-10(17)8-13(12)16/h4,7-9,11,18H,2-3,5-6H2,1H3
InChIKeyVUVJSWDKZGJTJQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.77
Rot. Bonds3

About 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine

4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 63350482) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
PubChem CID63350482
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nc(-c3ccc(F)cc3Cl)no2)CC1
InChIInChI=1S/C15H17ClFN3O/c1-18-11-5-2-9(3-6-11)15-19-14(20-21-15)12-7-4-10(17)8-13(12)16/h4,7-9,11,18H,2-3,5-6H2,1H3
InChIKeyVUVJSWDKZGJTJQ-UHFFFAOYSA-N
XLogP3.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 53417952
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63350172
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348552
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 103084081
3-(2-chloro-4-fluorophenyl)-5-[1-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 44578143
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 82787758
3-(4-fluoro-2-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 81273703
5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 165475619
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62944820
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 115531494

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (CID 63350482) is 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is CNC1CCC(c2nc(-c3ccc(F)cc3Cl)no2)CC1.
What is the InChIKey of 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is VUVJSWDKZGJTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-18-11-5-2-9(3-6-11)15-19-14(20-21-15)12-7-4-10(17)8-13(12)16/h4,7-9,11,18H,2-3,5-6H2,1H3.
What are the key properties of 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 309.77 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63350482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).